4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide

C16H18N6O2 — CID 154756701

IUPAC4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-20-9-10(8-17)6-13(20)16(24)19-11-7-14(23)21(2)15(11)12-4-5-18-22(12)3/h4-6,9,11,15H,7H2,1-3H3,(H,19,24)/t11-,15-/m1/s1
InChIKeyVSOQJFKCTZGMPC-IAQYHMDHSA-N
MW326.36 g/mol
LogP0.33
Rot. Bonds3

About 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide

4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide (PubChem CID 154756701) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
PubChem CID154756701
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide
SMILESCN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccnn1C
InChIInChI=1S/C16H18N6O2/c1-20-9-10(8-17)6-13(20)16(24)19-11-7-14(23)21(2)15(11)12-4-5-18-22(12)3/h4-6,9,11,15H,7H2,1-3H3,(H,19,24)/t11-,15-/m1/s1
InChIKeyVSOQJFKCTZGMPC-IAQYHMDHSA-N
XLogP0.33
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide (CID 154756701) is 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide is CN1C(=O)C[C@@H](NC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccnn1C.
What is the InChIKey of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
The InChIKey is VSOQJFKCTZGMPC-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-20-9-10(8-17)6-13(20)16(24)19-11-7-14(23)21(2)15(11)12-4-5-18-22(12)3/h4-6,9,11,15H,7H2,1-3H3,(H,19,24)/t11-,15-/m1/s1.
What are the key properties of 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide?
4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-N-[(2R,3R)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 154756701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).